Structure information

SST2 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7WIG

SPECIES

Homo sapiens

RESOLUTION

2.700

PREFERRED CHAIN

R

REFERENCE

10.1038/S41422-022-00669-Z

PUBLICATION DATE

June 1, 2022

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide D122 3.32x32 TM3 polar (charge-assisted hydrogen bond)
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide Q126 3.36x36 TM3 polar (hydrogen bond)
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide Q126 3.36x36 TM3 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide Y205 5.35x36 TM5 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide F272 6.51x51 TM6 hydrophobic
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide F272 6.51x51 TM6 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide F275 6.54x54 TM6 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide F275 6.54x54 TM6 aromatic (edge-to-face)
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide N276 6.55x55 TM6 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide S279 6.58x58 TM6 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide L290 7.31x30 TM7 hydrophobic
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide L290 7.31x30 TM7 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide F294 7.35x34 TM7 hydrophobic
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide F294 7.35x34 TM7 Van der Waals
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide V298 7.39x38 TM7 hydrophobic
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide Y302 7.43x42 TM7 polar (hydrogen bond)
~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide Y302 7.43x42 TM7 Van der Waals

Ligands

~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide

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Residue Diagrams

T N G C L G I I C V V F Y I F T L V A N 1 L N L A I A D E L F M L G L P F L A M Q 2 V T L C F I S T F Q N I G D V T M V V R 3 A K M I T M A V W G V S L L V I L P I 4 Y C L C I I T L P V L F G L I F T Y I I F 5 S I V V A V F I F C W L P F Y I F N V S 6 I P N A C S N A Y T L V V V F D F M G 7
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ICL1 A K M K ICL1ECL1 V H W P F ECL1ICL2 P I K S A K W R ICL2ECL2 G L R S N Q W G R S S C T I N W P G E ECL2ICL3 G I R V G ICL3ECL3 A I S P ECL3N-term M D M A D E P L N G S H T W L S I P F D L N G S V V S T N T S N Q T E P Y Y D N-termC-term L V K V S G T D D G E R S D S K Q D K S R L N E T T E T Q R T L L N G D L Q T S I C-term L T S N A V L T F I Y F V V C I I G L C G N T L V I Y V I L R Y T I T N I Y I L N L A I A D E L F M L G L P F L A M Q V A L G K A I C R V V M T V D G I N Q F T S I F C L T V M S I D R Y L A V V H R P R T A K M I T M A V W G V S L L V I L P I M I Y A S G A W Y T G F I I Y T F I L G F L V P L T I I C L C Y L F I I I K V K S S S S K R K K S E K K V T R M V S I V V A V F I F C W L P F Y I F N V S S V S M T P A L K G M F D F V V V L T Y A N S C A N P I L Y A F L S D N F Q N F K K S V L C
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Residue Table


GPCRdb(A)
GPCRdb(A)
SST2 receptor
TM3
3x32 3.32x32 D122
3x36 3.36x36 Q126
TM5
5x36 5.35x36 Y205
TM6
6x51 6.51x51 F272
6x54 6.54x54 F275
6x55 6.55x55 N276
6x58 6.58x58 S279
TM7
7x30 7.31x30 L290
7x34 7.35x34 F294
7x38 7.39x38 V298
7x42 7.43x42 Y302